Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ge2N2O | ICSD | 200840 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0994 | 3.406 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4Be3O5 | ICSD | 33808 | C2/c (15) | ✔ | 24 | 156 | 1 | 3.3568 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C5NCl5 | COD | 7221875 | Pc (7) | ✗ | 22 | 120 | 1 | 3.4089 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbLiCrO4 | COD | 2100906 | P6_3 (173) | ✗ | 14 | 100 | 1 | 3.3493 | 3.409 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Pb(CO)4 | ICSD | 248144 | I4_1/amd (141) | ✔ | 18 | 108 | 3 | 3.0547 | 3.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5C3NCl | COD | 7101077 | P-1 (2) | ✔ | 20 | 58 | 1 | 3.3502 | 3.410 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KC | COD | 1521141 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.3837 | 3.412 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaCdF3 | ICSD | 163866 | R3c (161) | ✗ | 10 | 84 | 3 | 3.4133 | 3.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiCl4 | COD | 9007929 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.374 | 3.414 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrO2 | COD | 1522143 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 3.4213 | 3.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na6CdCl8 | ICSD | 35070 | Fm-3m (225) | ✔ | 15 | 122 | 2 | 3.4215 | 3.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaI3O8 | ICSD | 418336 | P-4 (81) | ✗ | 24 | 156 | 2 | 3.3231 | 3.422 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AgC2N3 | ICSD | 843 | P3_121 (152) | ✗ | 18 | 102 | 3 | 3.4019 | 3.423 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na2TiSiO5 | COD | 9011189 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.217 | 3.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
| HgCl2 | COD | 1010620 | Pnma (62) | ✔ | 12 | 104 | 2 | 3.4224 | 3.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CS2NF5 | ICSD | 413754 | P-1 (2) | ✔ | 18 | 112 | 1 | 3.4262 | 3.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VOF3 | COD | 4339753 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 3.4086 | 3.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2CaWO6 | COD | 2104688 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.3236 | 3.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH | COD | 9008653 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.434 | 3.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na4TiO4 | ICSD | 69621 | P-1 (2) | ✔ | 18 | 144 | 1 | 3.3873 | 3.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2TiO3 | COD | 1515995 | C2/c (15) | ✔ | 24 | 144 | 2 | 3.2446 | 3.440 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba(SbO3)2 | COD | 2009658 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.3588 | 3.441 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSeO3 | ICSD | 163221 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.1331 | 3.445 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Ca3WO6 | ICSD | 262323 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.2315 | 3.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCdF3 | ICSD | 163867 | R3c (161) | ✗ | 10 | 84 | 3 | 3.449 | 3.449 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdF2 | ICSD | 183501 | Pnma (62) | ✔ | 12 | 104 | 3 | 3.4237 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeSn2(CN)6 | ICSD | 51494 | P-3 (147) | ✔ | 15 | 90 | 3 | 3.3964 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Te2SO7 | COD | 7035628 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 3.4249 | 3.454 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZrO2 | COD | 1525707 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 2.8098 | 3.454 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9012238 | Ia3 (206) | ✔ | 8 | 32 | 3 | 3.4586 | 3.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(AsO3)2 | ICSD | 29534 | P312 (149) | ✗ | 9 | 56 | 2 | 3.1687 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs3As5O9 | ICSD | 413151 | P31m (157) | ✗ | 17 | 106 | 1 | 3.3799 | 3.469 | 0.000 | (0;000) | ✗ | 21/03/17 |
| YAlO3 | COD | 1008923 | P6_3/mmc (194) | ✔ | 10 | 64 | 3 | 3.0644 | 3.469 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrBr2 | COD | 9009205 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.4695 | 3.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH3C2O5 | ICSD | 246786 | P1 (1) | ✗ | 11 | 44 | 1 | 3.3618 | 3.471 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdSeO3 | COD | 2009816 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.3067 | 3.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca4Al6O13 | COD | 1527947 | I-43m (217) | ✗ | 23 | 136 | 3 | 3.3952 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaNO | ICSD | 66978 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.4734 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaN6 | ICSD | 412259 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.4748 | 3.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdSe2O5 | COD | 2010004 | C2/c (15) | ✔ | 16 | 108 | 3 | 3.2062 | 3.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiMgVO4 | ICSD | 63477 | Cmcm (63) | ✔ | 14 | 100 | 3 | 3.4781 | 3.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3GeH2NO3 | ICSD | 79078 | P-1 (2) | ✔ | 20 | 112 | 1 | 3.4275 | 3.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaAlO4 | COD | 9004254 | Pbcn (60) | ✔ | 24 | 160 | 3 | 3.3363 | 3.479 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlP | ICSD | 190409 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.5188 | 3.480 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfSO | ICSD | 23327 | P2_13 (198) | ✗ | 12 | 96 | 3 | 2.7591 | 3.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2MgWO6 | COD | 2013469 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.4238 | 3.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiNO3 | ICSD | 67981 | R-3c (167) | ✔ | 10 | 52 | 2 | 3.109 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNO3 | COD | 2310364 | R-3c (167) | ✔ | 10 | 64 | 2 | 3.1867 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCaVO4 | ICSD | 32573 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.467 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PBr3O | COD | 2106216 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.3896 | 3.488 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrTeO3 | ICSD | 182023 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 3.4504 | 3.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3Ta2CdO9 | ICSD | 156335 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.2317 | 3.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiTaO3 | ICSD | 84226 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4507 | 3.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdF2 | COD | 9009006 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 3.0777 | 3.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiGaBr4 | ICSD | 61337 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.4986 | 3.499 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnPbF4 | ICSD | 152955 | P4/nmm (129) | ✔ | 12 | 112 | 1 | 3.3685 | 3.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2GeO4 | COD | 9010486 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 3.5003 | 3.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2LiInCl6 | ICSD | 65735 | R-3m (166) | ✔ | 20 | 152 | 1 | 3.5009 | 3.501 | 0.000 | (0;000) | ✗ | 22/03/17 |
| RbScO2 | ICSD | 31959 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.1509 | 3.502 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaAsO4 | COD | 1518032 | P3_121 (152) | ✗ | 18 | 126 | 3 | 3.387 | 3.502 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZnSiN2 | ICSD | 656276 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 3.0312 | 3.502 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SbOF | COD | 1528321 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.0 | 3.503 | 1.000 | (0;000) | ✗ | 27/01/17 |
| PbSeO4 | COD | 9014223 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.3853 | 3.505 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnF2 | COD | 9007539 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 3.5066 | 3.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaAgF6 | COD | 1509333 | P4_2/mcm (132) | ✔ | 16 | 132 | 3 | 3.4968 | 3.507 | 0.000 | (0;000) | ✗ | 30/01/17 |
| InBO3 | COD | 2010257 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.0882 | 3.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2CO3 | COD | 1527331 | P2_1/c (14) | ✔ | 24 | 160 | 3 | 3.4916 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbSeO4 | COD | 5910191 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.3813 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiTlPHO3 | ICSD | 201040 | C2 (5) | ✗ | 14 | 80 | 1 | 3.4505 | 3.514 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Zn2SiH2O5 | COD | 9008269 | Imm2 (44) | ✗ | 20 | 120 | 3 | 3.3232 | 3.515 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiHS | COD | 1532755 | Pmc2_1 (26) | ✗ | 12 | 40 | 1 | 3.5171 | 3.517 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HOF | ICSD | 63681 | P2_12_12_1 (19) | ✗ | 12 | 56 | 1 | 3.5169 | 3.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaTaGeO5 | COD | 2102920 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.5172 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2ZrCl6 | COD | 1010223 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.5199 | 3.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H10C9O4 | COD | 2229064 | P1 (1) | ✗ | 23 | 70 | 1 | 3.3437 | 3.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiIO3 | ICSD | 14377 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.4203 | 3.524 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs2HgF4 | ICSD | 72353 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.1116 | 3.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |